Institute of Experimental Mineralogy
Russian Academy of Sciences
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142432, Chernogolovka, Moscow district
A.V. Chichagov +7(496)52-22320
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*** W W W - X R A Y P O L ***
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ORPIMENT
2, t-orpiment, f-orpiment, g-orpiment
As(2)S(3)
Monoclinic P 2(1)/n Z = 4
P2(1)/n
26 .1 .15
Ref.Str.:
Morimoto N. (1954)
* Mineral. J. (Japan), 1, 160-169
R: Locality - Saimoku, Japan.
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 11.46 alpha = 90.0
b = 9.57 beta = 90.5
c = 4.22 gamma = 90.0
Unit cell volume (cub. angs.) = 462.8
Molar volume ( cub.cm/mol.) = 69.69
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.267 0.19 0.143 0.0 As = 1.00
2 0.484 0.323 0.643 0.0 As = 1.00
3 0.395 0.12 0.5 0.0 S = 1.00
4 0.355 0.397 0.013 0.0 S = 1.00
5 0.125 0.293 0.41 0.0 S = 1.00
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.267 0.19 0.143
2 2 0.484 0.323 0.643
3 3 0.395 0.12 0.5
4 4 0.355 0.397 0.013
5 5 0.125 0.293 0.41
6 1 0.733 0.81 0.857
7 2 0.516 0.677 0.357
8 3 0.605 0.88 0.5
9 4 0.645 0.603 0.987
10 5 0.875 0.707 0.59
11 1 0.767 0.31 0.643
12 2 0.984 0.177 0.143
13 3 0.895 0.38 0.0
14 4 0.855 0.103 0.513
15 5 0.625 0.207 0.91
16 1 0.233 0.69 0.357
17 2 0.016 0.823 0.857
18 3 0.105 0.62 0.0
19 4 0.145 0.897 0.487
20 5 0.375 0.793 0.09
X-ray density (g/cm cub.) = 3.53
MU (1/cm) = 302.253 Mass attenuation coefficient (cm**2/g) = 85.628
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 As 3.012 3
2.1981 3
2.2917 4
2.2184 5
2 As 3.012 3
2.2733 3
2.2727 4
2.2541 5
3 S 4.368 11
4.22 3
4.22 3
3.4556 4
3.383 4
3.5269 5
3.3267 3
3.2488 5
3.7355 5
3.5725 4
4.0068 5
3.5822 5
4 S 4.368 10
3.383 3
3.4556 3
4.22 4
4.22 4
3.2897 5
3.781 5
3.8665 4
3.6184 5
3.5725 3
3.8104 5
5 S 4.368 11
3.5269 3
3.781 4
3.2897 4
4.22 5
4.22 5
3.7355 3
3.2488 3
3.6184 4
4.0068 3
3.5822 3
3.8104 4
X-ray diffraction powder data (II), X-Ray W.L. = 1.54056(angs.):
No H K L Theta 2*Theta S LPG MF F I int.
( degree ) *100
1 1 1 0 6.019 12.039 0.068 178.9 4 32.3 349.0
2 2 0 0 7.726 15.452 0.087 107.71 2 0.3 0.0
3 2 1 0 9.015 18.029 0.102 78.53 4 60.7 539.8
4 0 2 0 9.264 18.527 0.104 74.25 2 186.7 2417.4
5 1 2 0 10.047 20.093 0.113 62.8 4 40.7 193.8
6 1 0 -1 11.185 22.369 0.126 50.26 2 143.6 967.4
7 1 0 1 11.249 22.498 0.127 49.67 2 63.7 187.9
8 0 1 1 11.507 23.015 0.129 47.36 4 13.6 16.2
9 2 2 0 12.107 24.213 0.136 42.59 4 10.2 8.3
10 1 1 -1 12.123 24.245 0.136 42.47 4 56.9 257.2
11 1 1 1 12.182 24.365 0.137 42.04 4 117.3 1079.9
12 3 1 0 12.54 25.08 0.141 39.56 4 46.3 158.3
13 2 1 -1 13.867 27.734 0.156 31.98 4 12.3 9.1
14 2 1 1 13.972 27.945 0.157 31.47 4 24.0 33.7
15 0 2 1 14.086 28.172 0.158 30.93 4 106.8 658.9
16 1 3 0 14.516 29.032 0.163 29.01 4 54.4 160.1
17 1 2 -1 14.6 29.2 0.164 28.66 4 86.2 397.8
18 1 2 1 14.65 29.3 0.164 28.45 4 55.5 163.4
19 3 2 0 14.953 29.906 0.167 27.23 4 85.6 372.9
20 4 0 0 15.597 31.194 0.175 24.87 2 58.2 78.8
21 3 0 -1 15.713 31.426 0.176 24.48 2 54.8 68.5
22 3 0 1 15.853 31.707 0.177 24.01 2 218.6 1071.9
23 2 3 0 16.044 32.087 0.179 23.4 4 99.1 428.8
24 2 2 -1 16.097 32.195 0.18 23.23 4 82.4 294.7
25 2 2 1 16.189 32.378 0.181 22.95 4 101.8 444.1
26 4 1 0 16.299 32.599 0.182 22.61 4 1.7 0.1
27 3 1 -1 16.411 32.822 0.183 22.28 4 197.9 1630.4
28 3 1 1 16.546 33.092 0.185 21.89 4 42.0 72.3
29 0 3 1 17.62 35.24 0.196 19.09 4 101.3 365.9
30 1 3 -1 18.043 36.085 0.201 18.12 4 31.1 32.7
31 1 3 1 18.084 36.169 0.201 18.03 4 20.2 13.8
32 4 2 0 18.263 36.526 0.203 17.65 4 97.1 311.0
33 3 3 0 18.336 36.673 0.204 17.49 4 142.1 660.0
34 3 2 -1 18.364 36.727 0.205 17.44 4 9.5 2.9
35 3 2 1 18.486 36.973 0.206 17.18 4 117.4 442.4
36 0 4 0 18.781 37.563 0.209 16.59 2 81.3 102.4
37 1 4 0 19.202 38.404 0.213 15.8 4 75.8 169.6
38 2 3 -1 19.303 38.606 0.215 15.62 4 44.2 56.9
39 2 3 1 19.381 38.763 0.215 15.48 4 47.5 65.2
40 4 1 -1 19.482 38.965 0.216 15.3 4 91.5 239.2
41 4 1 1 19.638 39.276 0.218 15.03 4 97.2 265.0
42 5 1 0 20.218 40.436 0.224 14.09 4 53.5 75.3
43 2 4 0 20.42 40.84 0.226 13.78 4 32.2 26.7
44 4 3 0 21.185 42.37 0.235 12.69 4 6.3 1.0
45 4 2 -1 21.191 42.382 0.235 12.69 4 116.8 323.3
46 3 3 -1 21.274 42.548 0.236 12.58 4 40.4 38.4
47 4 2 1 21.336 42.673 0.236 12.49 4 114.9 308.1
48 3 3 1 21.383 42.766 0.237 12.43 4 20.7 9.9
49 0 0 2 21.412 42.824 0.237 12.39 2 59.0 40.3
50 0 4 1 21.722 43.444 0.24 12.0 4 127.8 366.2
51 5 2 0 21.879 43.758 0.242 11.81 4 67.9 101.8
52 0 1 2 21.953 43.906 0.243 11.72 4 136.1 405.4
53 1 4 -1 22.078 44.156 0.244 11.57 4 26.6 15.3
54 1 4 1 22.113 44.227 0.244 11.53 4 50.0 53.8
55 1 1 -2 22.289 44.577 0.246 11.33 4 16.7 5.9
56 3 4 0 22.327 44.654 0.247 11.28 4 138.0 401.3
57 1 1 2 22.359 44.717 0.247 11.25 4 47.9 48.3
58 5 0 -1 22.399 44.798 0.247 11.2 2 20.7 4.5
59 5 0 1 22.573 45.145 0.249 11.01 2 2.9 0.1
60 2 0 -2 22.826 45.653 0.252 10.73 2 80.9 65.5
61 5 1 -1 22.921 45.842 0.253 10.63 4 16.8 5.6
62 2 0 2 22.963 45.926 0.253 10.59 2 80.8 64.6
63 5 1 1 23.092 46.183 0.255 10.45 4 33.1 21.4
64 2 4 -1 23.155 46.31 0.255 10.39 4 16.1 5.0
65 2 4 1 23.223 46.445 0.256 10.32 4 21.2 8.7
66 2 1 -2 23.341 46.682 0.257 10.2 4 22.1 9.3
67 2 1 2 23.475 46.951 0.259 10.07 4 29.4 16.2
68 0 2 2 23.515 47.03 0.259 10.03 4 26.4 13.0
69 6 0 0 23.785 47.57 0.262 9.78 2 2.0 0.0
70 4 3 -1 23.816 47.633 0.262 9.75 4 108.2 213.1
71 1 2 -2 23.834 47.667 0.262 9.73 4 105.4 202.0
72 1 2 2 23.9 47.8 0.263 9.67 4 57.1 58.8
73 4 3 1 23.949 47.898 0.263 9.63 4 110.4 219.1
74 1 5 0 24.081 48.161 0.265 9.51 4 32.7 18.9
75 6 1 0 24.284 48.568 0.267 9.33 4 98.2 167.9
76 5 2 -1 24.435 48.87 0.269 9.2 4 42.1 30.4
77 5 3 0 24.446 48.892 0.269 9.19 4 79.4 108.1
78 5 2 1 24.598 49.195 0.27 9.06 4 18.3 5.7
79 4 4 0 24.8 49.601 0.272 8.89 4 28.5 13.5
80 2 2 -2 24.835 49.671 0.273 8.86 4 48.8 39.4
81 3 4 -1 24.879 49.759 0.273 8.83 4 9.8 1.6
82 2 2 2 24.964 49.928 0.274 8.76 4 57.5 54.0
83 3 4 1 24.976 49.951 0.274 8.75 4 24.1 9.5
84 3 1 -2 25.04 50.079 0.275 8.7 4 62.4 63.2
85 2 5 0 25.107 50.213 0.275 8.65 4 52.2 44.0
86 3 1 2 25.231 50.462 0.277 8.55 4 12.9 2.6
87 6 2 0 25.737 51.474 0.282 8.17 4 13.0 2.6
88 0 3 2 25.958 51.915 0.284 8.01 4 23.8 8.5
89 0 5 1 26.226 52.451 0.287 7.83 4 194.7 554.3
90 1 3 -2 26.254 52.508 0.287 7.81 4 48.4 34.2
91 1 3 2 26.316 52.632 0.288 7.77 4 121.9 215.5
92 3 2 -2 26.463 52.925 0.289 7.67 4 33.6 16.1
93 1 5 -1 26.535 53.071 0.29 7.62 4 32.5 15.1
94 1 5 1 26.566 53.132 0.29 7.6 4 47.1 31.5
95 3 2 2 26.647 53.294 0.291 7.55 4 97.8 134.8
96 6 1 -1 26.649 53.297 0.291 7.55 4 26.8 10.1
97 3 5 0 26.753 53.505 0.292 7.48 4 138.2 266.7
98 5 3 -1 26.816 53.631 0.293 7.44 4 74.5 77.1
99 6 1 1 26.832 53.664 0.293 7.43 4 30.9 13.2
100 4 0 -2 26.84 53.681 0.293 7.43 2 113.4 89.2
101 5 3 1 26.968 53.935 0.294 7.35 4 47.1 30.5
102 4 0 2 27.083 54.166 0.296 7.28 2 122.8 102.5
103 4 4 -1 27.163 54.325 0.296 7.23 4 130.2 228.8
104 2 3 -2 27.19 54.381 0.297 7.21 4 93.3 117.2
105 4 4 1 27.283 54.567 0.298 7.15 4 148.3 293.9
106 4 1 -2 27.298 54.597 0.298 7.15 4 174.1 404.5
107 2 3 2 27.311 54.622 0.298 7.14 4 57.4 44.0
108 2 5 -1 27.48 54.96 0.3 7.04 4 58.8 45.4
109 4 1 2 27.538 55.077 0.3 7.0 4 168.9 373.2
110 2 5 1 27.54 55.08 0.3 7.0 4 34.3 15.4
111 5 4 0 27.737 55.474 0.302 6.89 4 38.8 19.4
112 6 2 -1 28.014 56.028 0.305 6.74 4 120.7 183.3
113 6 3 0 28.038 56.077 0.305 6.72 4 103.3 134.1
114 6 2 1 28.191 56.382 0.307 6.64 4 110.2 150.6
115 7 1 0 28.513 57.026 0.31 6.47 4 75.3 68.6
116 4 2 -2 28.643 57.285 0.311 6.41 4 21.6 5.6
117 3 3 -2 28.724 57.448 0.312 6.37 4 97.8 113.7
118 4 2 2 28.875 57.751 0.313 6.29 4 30.7 11.1
119 0 6 0 28.877 57.754 0.313 6.29 2 101.1 60.1
120 3 3 2 28.898 57.796 0.314 6.28 4 61.3 44.1
121 4 5 0 28.947 57.893 0.314 6.26 4 19.9 4.6
122 3 5 -1 29.018 58.035 0.315 6.22 4 91.4 97.2
123 3 5 1 29.104 58.209 0.316 6.18 4 12.2 1.7
124 0 4 2 29.128 58.256 0.316 6.17 4 56.0 36.1
125 1 6 0 29.182 58.365 0.317 6.14 4 33.5 12.9
126 1 4 -2 29.403 58.805 0.319 6.04 4 103.7 121.3
127 1 4 2 29.46 58.92 0.319 6.01 4 74.5 62.4
128 7 2 0 29.821 59.643 0.323 5.85 4 111.6 136.1
129 5 4 -1 29.924 59.849 0.324 5.81 4 35.0 13.3
130 5 1 -2 30.038 60.076 0.325 5.76 4 27.6 8.2
131 5 4 1 30.066 60.132 0.325 5.75 4 19.3 4.0
132 2 6 0 30.086 60.172 0.325 5.74 4 28.7 8.8
133 6 3 -1 30.198 60.396 0.326 5.69 4 47.5 24.0
134 7 0 -1 30.212 60.424 0.327 5.68 2 89.3 42.3
135 2 4 -2 30.274 60.548 0.327 5.66 4 2.8 0.1
136 5 1 2 30.32 60.64 0.328 5.64 4 13.7 2.0
137 6 3 1 30.367 60.734 0.328 5.62 4 69.6 50.8
138 2 4 2 30.387 60.773 0.328 5.61 4 11.9 1.5
139 7 0 1 30.409 60.818 0.329 5.6 2 117.9 72.7
140 7 1 -1 30.637 61.274 0.331 5.51 4 115.3 136.7
141 4 3 -2 30.798 61.597 0.332 5.45 4 77.2 60.6
142 7 1 1 30.833 61.665 0.333 5.43 4 78.4 62.4
143 4 3 2 31.021 62.042 0.335 5.36 4 68.1 46.4
144 6 4 0 31.068 62.136 0.335 5.34 4 18.5 3.4
145 0 6 1 31.083 62.166 0.335 5.34 4 57.3 32.7
146 4 5 -1 31.094 62.188 0.335 5.33 4 2.4 0.1
147 4 5 1 31.205 62.41 0.336 5.29 4 13.4 1.8
148 5 2 -2 31.307 62.614 0.337 5.25 4 14.1 1.9
149 1 6 -1 31.361 62.722 0.338 5.23 4 87.2 74.3
150 1 6 1 31.389 62.778 0.338 5.22 4 19.5 3.7
151 3 6 0 31.557 63.114 0.34 5.16 4 116.7 131.2
152 5 2 2 31.583 63.165 0.34 5.15 4 44.6 19.1
153 5 5 0 31.623 63.246 0.34 5.14 4 15.9 2.4
154 3 4 -2 31.712 63.425 0.341 5.11 4 65.0 40.3
155 3 4 2 31.877 63.754 0.343 5.05 4 97.8 90.1
156 7 2 -1 31.892 63.784 0.343 5.04 4 30.3 8.7
157 7 3 0 31.929 63.857 0.343 5.03 4 108.1 109.7
158 7 2 1 32.083 64.167 0.345 4.98 4 111.0 114.6
159 2 6 -1 32.215 64.43 0.346 4.93 4 14.1 1.8
160 2 6 1 32.269 64.538 0.347 4.92 4 63.4 37.0
161 8 0 0 32.53 65.06 0.349 4.83 2 181.7 148.9
162 6 0 -2 32.795 65.589 0.352 4.75 2 56.7 14.2
163 0 5 2 32.913 65.826 0.353 4.71 4 83.5 61.4
164 8 1 0 32.938 65.876 0.353 4.7 4 6.9 0.4
165 6 4 -1 33.107 66.215 0.355 4.65 4 67.4 39.4
166 6 0 2 33.117 66.235 0.355 4.65 2 54.9 13.1
167 1 5 -2 33.169 66.338 0.355 4.63 4 73.6 46.9
168 6 1 -2 33.201 66.402 0.355 4.62 4 35.5 10.9
169 1 5 2 33.223 66.445 0.356 4.62 4 114.5 113.1
170 6 4 1 33.268 66.536 0.356 4.6 4 65.8 37.2
171 5 3 -2 33.361 66.721 0.357 4.58 4 30.1 7.7
172 1 0 -3 33.445 66.891 0.358 4.55 2 7.5 0.2
173 6 1 2 33.522 67.043 0.358 4.53 4 38.9 12.8
174 1 0 3 33.525 67.051 0.359 4.53 2 115.8 56.7
175 4 6 0 33.555 67.11 0.359 4.52 4 140.4 166.6
176 0 1 3 33.607 67.215 0.359 4.51 4 111.3 104.3
177 3 6 -1 33.62 67.24 0.359 4.5 4 20.9 3.7
178 5 3 2 33.627 67.255 0.359 4.5 4 10.4 0.9
179 5 5 -1 33.657 67.315 0.36 4.49 4 36.3 11.1
180 4 4 -2 33.679 67.358 0.36 4.49 4 59.3 29.5
181 3 6 1 33.7 67.4 0.36 4.48 4 89.1 66.4
182 5 5 1 33.79 67.58 0.361 4.46 4 22.0 4.0
183 1 1 -3 33.848 67.695 0.362 4.44 4 102.8 87.6
184 4 4 2 33.891 67.783 0.362 4.43 4 43.9 15.9
185 7 3 -1 33.927 67.854 0.362 4.42 4 75.6 47.1
186 1 1 3 33.927 67.854 0.362 4.42 4 8.1 0.5
187 2 5 -2 33.985 67.971 0.363 4.4 4 48.9 19.7
188 2 5 2 34.091 68.182 0.364 4.37 4 4.3 0.2
189 7 3 1 34.112 68.225 0.364 4.37 4 1.9 0.0
190 8 2 0 34.147 68.294 0.364 4.36 4 94.4 72.6
191 6 2 -2 34.406 68.811 0.367 4.29 4 37.9 11.5
192 1 7 0 34.57 69.141 0.368 4.25 4 14.1 1.6
193 2 1 -3 34.643 69.286 0.369 4.23 4 13.1 1.4
194 6 2 2 34.721 69.441 0.37 4.21 4 31.1 7.6
195 6 5 0 34.733 69.466 0.37 4.21 4 19.6 3.0
196 7 4 0 34.759 69.518 0.37 4.2 4 79.3 49.3
197 2 1 3 34.8 69.6 0.37 4.19 4 3.4 0.1
198 0 2 3 34.805 69.61 0.371 4.19 4 24.7 4.8
199 8 1 -1 34.894 69.787 0.371 4.17 4 6.0 0.3
200 1 2 -3 35.041 70.083 0.373 4.13 4 10.2 0.8
201 8 1 1 35.103 70.205 0.373 4.12 4 7.3 0.4
202 1 2 3 35.12 70.239 0.373 4.12 4 71.7 39.5
203 3 5 -2 35.343 70.685 0.375 4.06 4 50.3 19.2
204 2 7 0 35.397 70.794 0.376 4.05 4 40.5 12.4
205 3 5 2 35.498 70.997 0.377 4.03 4 73.7 40.9
206 4 6 -1 35.546 71.092 0.377 4.02 4 77.0 44.5
207 3 0 -3 35.585 71.17 0.378 4.01 2 90.0 30.3
208 4 6 1 35.65 71.3 0.378 4.0 4 83.3 51.8
209 3 0 3 35.818 71.636 0.38 3.96 2 60.2 13.4
210 2 2 -3 35.825 71.649 0.38 3.96 4 76.3 43.0
211 3 1 -3 35.976 71.952 0.381 3.92 4 49.5 17.9
212 2 2 3 35.98 71.959 0.381 3.92 4 87.3 55.9
213 5 6 0 36.041 72.083 0.382 3.91 4 43.5 13.8
214 8 2 -1 36.072 72.143 0.382 3.9 4 53.4 20.8
215 8 3 0 36.119 72.238 0.383 3.89 4 18.6 2.5
216 5 4 -2 36.136 72.272 0.383 3.89 4 21.3 3.3
217 3 1 3 36.208 72.416 0.383 3.88 4 89.2 57.6
218 8 2 1 36.278 72.555 0.384 3.86 4 45.7 15.1
219 0 7 1 36.317 72.634 0.384 3.85 4 58.4 24.5
220 6 3 -2 36.371 72.743 0.385 3.84 4 27.6 5.5
221 5 4 2 36.393 72.786 0.385 3.84 4 7.5 0.4
222 1 7 -1 36.575 73.15 0.387 3.8 4 37.5 10.0
223 1 7 1 36.601 73.202 0.387 3.8 4 81.3 46.8
224 6 5 -1 36.67 73.34 0.388 3.78 4 42.7 12.9
225 6 3 2 36.679 73.359 0.388 3.78 4 61.6 26.8
226 7 4 -1 36.683 73.365 0.388 3.78 4 15.6 1.7
227 3 7 0 36.757 73.514 0.388 3.77 4 16.3 1.9
228 7 1 -2 36.759 73.519 0.388 3.77 4 31.8 7.1
229 0 3 3 36.762 73.523 0.388 3.77 4 165.7 193.1
230 6 5 1 36.823 73.647 0.389 3.75 4 37.2 9.7
231 7 4 1 36.862 73.724 0.389 3.75 4 13.3 1.2
232 1 3 -3 36.993 73.986 0.391 3.72 4 59.2 24.4
233 1 3 3 37.069 74.139 0.391 3.71 4 8.2 0.5
234 7 1 2 37.117 74.234 0.392 3.7 4 62.8 27.2
235 3 2 -3 37.14 74.28 0.392 3.69 4 74.7 38.5
236 4 5 -2 37.217 74.433 0.393 3.68 4 64.4 28.5
237 0 6 2 37.257 74.515 0.393 3.67 4 56.1 21.6
238 3 2 3 37.369 74.738 0.394 3.65 4 55.6 21.1
239 2 7 -1 37.371 74.741 0.394 3.65 4 41.0 11.5
240 4 5 2 37.42 74.84 0.394 3.64 4 52.9 19.1
241 2 7 1 37.421 74.843 0.394 3.64 4 2.1 0.0
242 1 6 -2 37.5 75.001 0.395 3.63 4 65.4 29.0
243 1 6 2 37.551 75.102 0.396 3.62 4 15.9 1.7
244 9 1 0 37.61 75.22 0.396 3.61 4 39.9 10.7
245 2 3 -3 37.76 75.519 0.397 3.58 4 41.0 11.3
246 4 1 -3 37.825 75.65 0.398 3.57 4 9.6 0.6
247 2 3 3 37.912 75.823 0.399 3.56 4 25.8 4.4
248 7 2 -2 37.914 75.828 0.399 3.56 4 107.7 77.1
249 5 6 -1 37.964 75.928 0.399 3.55 4 33.4 7.4
250 8 3 -1 38.002 76.004 0.4 3.54 4 61.5 25.0
251 5 6 1 38.09 76.181 0.4 3.53 4 18.6 2.3
252 4 1 3 38.129 76.257 0.401 3.52 4 2.1 0.0
253 8 3 1 38.204 76.409 0.401 3.51 4 62.5 25.6
254 7 5 0 38.254 76.509 0.402 3.5 4 33.5 7.3
255 7 2 2 38.268 76.536 0.402 3.5 4 80.5 42.3
256 2 6 -2 38.276 76.552 0.402 3.5 4 21.3 3.0
257 2 6 2 38.377 76.754 0.403 3.48 4 20.6 2.8
258 4 7 0 38.63 77.26 0.405 3.44 4 4.2 0.1
259 3 7 -1 38.692 77.383 0.406 3.43 4 110.9 78.8
260 9 2 0 38.756 77.512 0.406 3.43 4 69.6 31.0
261 3 7 1 38.767 77.534 0.406 3.42 4 19.3 2.4
262 8 4 0 38.811 77.622 0.407 3.42 4 27.2 4.7
263 4 2 -3 38.969 77.938 0.408 3.39 4 63.7 25.7
264 6 6 0 38.99 77.981 0.408 3.39 4 6.3 0.3
265 3 3 -3 39.051 78.103 0.409 3.38 4 56.4 20.1
266 6 4 -2 39.057 78.114 0.409 3.38 4 26.3 4.4
267 9 0 -1 39.077 78.154 0.409 3.38 2 15.3 0.7
268 4 2 3 39.27 78.54 0.411 3.35 4 69.1 29.8
269 3 3 3 39.277 78.554 0.411 3.35 4 31.7 6.3
270 9 0 1 39.303 78.605 0.411 3.35 2 10.4 0.3
271 6 4 2 39.358 78.715 0.412 3.34 4 10.7 0.7
272 0 4 3 39.438 78.876 0.412 3.33 4 38.1 9.0
273 9 1 -1 39.456 78.912 0.413 3.33 4 1.1 0.0
274 3 6 -2 39.575 79.15 0.414 3.31 4 42.3 11.1
275 5 5 -2 39.585 79.17 0.414 3.31 4 6.9 0.3
276 1 4 -3 39.664 79.329 0.414 3.3 4 18.2 2.0
277 9 1 1 39.681 79.362 0.414 3.3 4 0.3 0.0
278 3 6 2 39.725 79.45 0.415 3.29 4 9.4 0.5
279 1 4 3 39.739 79.478 0.415 3.29 4 1.8 0.0
280 5 0 -3 39.793 79.586 0.415 3.28 2 72.5 16.1
281 7 3 -2 39.814 79.628 0.416 3.28 4 123.7 93.7
282 5 5 2 39.835 79.67 0.416 3.28 4 21.5 2.8
283 0 8 0 40.084 80.168 0.418 3.24 2 107.6 35.1
284 7 5 -1 40.116 80.232 0.418 3.24 4 52.6 16.7
285 7 3 2 40.163 80.325 0.419 3.23 4 91.3 50.4
286 5 0 3 40.167 80.334 0.419 3.23 2 35.5 3.8
287 5 1 -3 40.17 80.34 0.419 3.23 4 30.9 5.8
288 7 5 1 40.29 80.581 0.42 3.22 4 23.0 3.2
289 8 0 -2 40.339 80.679 0.42 3.21 2 23.8 1.7
290 1 8 0 40.347 80.693 0.42 3.21 4 23.9 3.4
291 2 4 -3 40.415 80.831 0.421 3.2 4 5.1 0.2
292 4 7 -1 40.524 81.048 0.422 3.19 4 6.1 0.2
293 5 1 3 40.543 81.086 0.422 3.19 4 53.1 16.8
294 2 4 3 40.564 81.129 0.422 3.19 4 1.2 0.0
295 9 2 -1 40.587 81.173 0.422 3.18 4 25.0 3.7
296 4 7 1 40.624 81.247 0.423 3.18 4 31.3 5.8
297 9 3 0 40.645 81.289 0.423 3.18 4 49.4 14.5
298 8 4 -1 40.653 81.306 0.423 3.18 4 68.8 28.1
299 8 1 -2 40.715 81.43 0.423 3.17 4 59.1 20.7
300 8 0 2 40.737 81.474 0.424 3.17 2 27.8 2.3
301 9 2 1 40.81 81.62 0.424 3.16 4 37.5 8.3
302 8 4 1 40.852 81.703 0.425 3.15 4 52.3 16.1
303 4 3 -3 40.855 81.71 0.425 3.15 4 83.4 41.0
304 6 6 -1 40.855 81.711 0.425 3.15 4 2.8 0.0
305 5 7 0 40.999 81.998 0.426 3.14 4 18.4 2.0
306 6 6 1 41.004 82.008 0.426 3.14 4 34.7 7.1
307 8 1 2 41.112 82.224 0.427 3.13 4 61.7 22.3
308 2 8 0 41.132 82.264 0.427 3.12 4 13.0 1.0
309 4 3 3 41.152 82.305 0.427 3.12 4 79.8 37.1
310 5 2 -3 41.296 82.592 0.428 3.11 4 18.9 2.1
311 4 6 -2 41.386 82.771 0.429 3.1 4 6.9 0.3
312 4 6 2 41.583 83.167 0.431 3.08 4 10.5 0.6
313 5 2 3 41.667 83.334 0.432 3.07 4 5.5 0.2
314 3 4 -3 41.685 83.37 0.432 3.07 4 10.3 0.6
315 8 2 -2 41.838 83.677 0.433 3.05 4 0.5 0.0
316 3 4 3 41.907 83.815 0.434 3.05 4 6.5 0.2
317 0 8 1 42.012 84.024 0.434 3.04 4 37.4 7.9
318 0 7 2 42.172 84.344 0.436 3.02 4 115.4 75.2
319 8 5 0 42.195 84.39 0.436 3.02 4 4.1 0.1
320 8 2 2 42.233 84.466 0.436 3.02 4 17.3 1.7
321 10 0 0 42.235 84.47 0.436 3.02 2 3.8 0.0
322 1 8 -1 42.26 84.52 0.437 3.01 4 62.8 22.2
323 1 8 1 42.284 84.569 0.437 3.01 4 48.3 13.1
324 7 6 0 42.396 84.792 0.438 3.0 4 2.2 0.0
325 1 7 -2 42.408 84.815 0.438 3.0 4 61.6 21.2
326 3 8 0 42.435 84.869 0.438 3.0 4 20.3 2.3
327 6 5 -2 42.437 84.874 0.438 3.0 4 6.7 0.2
328 7 4 -2 42.437 84.874 0.438 3.0 4 77.2 33.4
329 9 3 -1 42.457 84.913 0.438 3.0 4 39.4 8.7
330 1 7 2 42.457 84.914 0.438 3.0 4 42.2 9.9
331 10 1 0 42.608 85.215 0.439 2.99 4 93.0 48.2
332 9 3 1 42.678 85.357 0.44 2.98 4 49.8 13.8
333 6 5 2 42.732 85.465 0.44 2.98 4 48.0 12.8
334 7 4 2 42.782 85.564 0.441 2.97 4 147.2 120.2
335 0 5 3 42.812 85.623 0.441 2.97 4 56.0 17.4
336 5 7 -1 42.858 85.716 0.442 2.97 4 24.7 3.4
337 5 7 1 42.981 85.962 0.443 2.96 4 63.4 22.2
338 6 1 -3 43.002 86.004 0.443 2.95 4 15.7 1.4
339 2 8 -1 43.027 86.053 0.443 2.95 4 93.0 47.7
340 1 5 -3 43.034 86.069 0.443 2.95 4 38.5 8.2
341 2 8 1 43.076 86.152 0.443 2.95 4 26.6 3.9
342 1 5 3 43.108 86.216 0.444 2.95 4 11.2 0.7
343 5 3 -3 43.161 86.322 0.444 2.94 4 22.7 2.8
344 2 7 -2 43.162 86.324 0.444 2.94 4 55.7 17.1
345 9 4 0 43.259 86.517 0.445 2.93 4 15.9 1.4
346 2 7 2 43.26 86.521 0.445 2.93 4 74.7 30.6
347 6 1 3 43.445 86.889 0.446 2.92 4 5.0 0.1
348 4 4 -3 43.467 86.934 0.447 2.92 4 74.3 30.1
349 5 3 3 43.53 87.06 0.447 2.92 4 12.6 0.9
350 5 6 -2 43.7 87.4 0.448 2.9 4 9.6 0.5
351 8 3 -2 43.7 87.4 0.448 2.9 4 5.0 0.1
352 10 2 0 43.724 87.447 0.449 2.9 4 4.5 0.1
353 4 4 3 43.762 87.524 0.449 2.9 4 81.1 35.6
354 2 5 -3 43.775 87.55 0.449 2.9 4 37.0 7.4
355 6 7 0 43.859 87.719 0.45 2.89 4 126.8 86.9
356 2 5 3 43.923 87.845 0.45 2.89 4 58.8 18.7
357 5 6 2 43.946 87.891 0.45 2.89 4 37.1 7.4
358 8 5 -1 44.01 88.021 0.451 2.88 4 112.4 68.0
359 8 3 2 44.093 88.186 0.452 2.88 4 7.1 0.3
360 6 2 -3 44.117 88.234 0.452 2.88 4 13.7 1.0
361 8 5 1 44.207 88.414 0.453 2.87 4 97.3 50.8
362 7 6 -1 44.223 88.445 0.453 2.87 4 12.9 0.9
363 4 8 0 44.25 88.5 0.453 2.87 4 138.4 102.6
364 3 8 -1 44.31 88.621 0.453 2.87 4 0.2 0.0
365 3 8 1 44.384 88.768 0.454 2.86 4 116.8 72.9
366 7 6 1 44.395 88.789 0.454 2.86 4 129.3 89.4
367 10 1 -1 44.397 88.794 0.454 2.86 4 36.8 7.2
368 3 7 -2 44.433 88.866 0.454 2.86 4 15.0 1.2
369 6 2 3 44.559 89.118 0.455 2.85 4 9.9 0.5
370 3 7 2 44.58 89.16 0.456 2.85 4 6.7 0.2
371 10 1 1 44.642 89.284 0.456 2.85 4 45.7 11.1
X-ray diffraction powder data (I)...X-Ray wave length = 1.54056 (angs.):
No H K L Theta 2*Theta d I int I int.n. I p.h.n. H(Si)
( degree ) (angstrem) *100 *100
1 1 1 0 6.019 12.039 7.34545 349.0 14.4 14.5 5.6
2 2 1 0 9.015 18.029 4.91601 539.8 22.3 22.3 5.6
3 0 2 0 9.264 18.527 4.785 2417.4 100.0 100.0 5.6
4 1 2 0 10.047 20.093 4.41553 193.8 8.0 8.0 5.6
5 1 0 -1 11.185 22.369 3.97115 967.4 40.0 39.9 5.6
6 1 0 1 11.249 22.498 3.94873 187.9 7.8 7.8 5.6
7 1 1 -1 12.123 24.245 3.66789 265.5 11.0 10.9 5.6
8 1 1 1 12.182 24.365 3.65021 1079.9 44.7 44.5 5.6
9 3 1 0 12.54 25.08 3.54769 158.3 6.5 6.5 5.6
10 2 1 1 13.972 27.945 3.19019 33.7 1.4 1.4 5.6
11 0 2 1 14.086 28.172 3.16492 658.9 27.3 27.1 5.6
12 1 3 0 14.516 29.032 3.07315 160.1 6.6 6.6 5.6
13 1 2 -1 14.6 29.2 3.05585 397.8 16.5 16.3 5.6
14 1 2 1 14.65 29.3 3.0456 163.4 6.8 6.7 5.6
15 3 2 0 14.953 29.906 2.98528 372.9 15.4 15.3 5.6
16 4 0 0 15.597 31.194 2.86489 78.8 3.3 3.2 5.6
17 3 0 -1 15.713 31.426 2.8443 68.5 2.8 2.8 5.6
18 3 0 1 15.853 31.707 2.81971 1071.9 44.3 43.9 5.6
19 2 3 0 16.044 32.087 2.78716 428.8 17.7 17.6 5.6
20 2 2 -1 16.097 32.195 2.77809 294.7 12.2 12.1 5.6
21 2 2 1 16.189 32.378 2.76274 444.1 18.4 18.2 5.6
22 3 1 -1 16.411 32.822 2.72643 1630.4 67.4 66.7 5.6
23 3 1 1 16.546 33.092 2.70475 72.3 3.0 3.0 5.6
24 0 3 1 17.62 35.24 2.54471 365.9 15.1 14.9 5.7
25 1 3 -1 18.043 36.085 2.48697 32.7 1.4 1.3 5.7
26 4 2 0 18.263 36.526 2.45801 311.0 12.9 12.7 5.7
27 3 3 0 18.336 36.673 2.44848 663.0 27.4 27.0 5.7
28 3 2 1 18.486 36.973 2.42929 442.4 18.3 18.0 5.7
29 0 4 0 18.781 37.563 2.3925 102.4 4.2 4.2 5.7
30 1 4 0 19.202 38.404 2.342 169.6 7.0 6.9 5.7
31 2 3 -1 19.303 38.606 2.33022 56.9 2.4 2.3 5.7
32 2 3 1 19.381 38.763 2.32114 65.2 2.7 2.7 5.7
33 4 1 -1 19.482 38.965 2.30958 239.2 9.9 9.7 5.7
34 4 1 1 19.638 39.276 2.292 265.0 11.0 10.8 5.7
35 5 1 0 20.218 40.436 2.22888 75.3 3.1 3.1 5.7
36 2 4 0 20.42 40.84 2.20776 26.7 1.1 1.1 5.7
37 4 2 -1 21.191 42.382 2.13091 323.3 13.4 13.1 5.7
38 3 3 -1 21.274 42.548 2.12296 38.4 1.6 1.6 5.7
39 4 2 1 21.336 42.673 2.11707 308.1 12.7 12.5 5.7
40 0 0 2 21.412 42.824 2.10992 40.3 1.7 1.6 5.7
41 0 4 1 21.722 43.444 2.08126 366.2 15.1 14.8 5.7
42 5 2 0 21.879 43.758 2.06704 101.8 4.2 4.1 5.7
43 0 1 2 21.953 43.906 2.06044 405.4 16.8 16.4 5.7
44 1 4 1 22.113 44.227 2.04622 53.8 2.2 2.2 5.7
45 3 4 0 22.327 44.654 2.02762 401.3 16.6 16.2 5.7
46 1 1 2 22.359 44.717 2.02491 48.3 2.0 2.0 5.7
47 2 0 -2 22.826 45.653 1.98557 65.5 2.7 2.6 5.7
48 2 0 2 22.963 45.926 1.97437 64.6 2.7 2.6 5.7
49 4 3 -1 23.816 47.633 1.90754 415.1 17.2 16.7 5.7
50 1 2 2 23.9 47.8 1.90126 58.8 2.4 2.4 5.7
51 4 3 1 23.949 47.898 1.8976 219.1 9.1 8.8 5.7
52 6 1 0 24.284 48.568 1.87299 167.9 6.9 6.8 5.7
53 5 3 0 24.446 48.892 1.86132 138.5 5.7 5.6 5.7
54 2 2 -2 24.835 49.671 1.83395 39.4 1.6 1.6 5.7
55 2 2 2 24.964 49.928 1.82511 63.5 2.6 2.6 5.7
56 3 1 -2 25.04 50.079 1.81993 63.2 2.6 2.5 5.7
57 2 5 0 25.107 50.213 1.81539 44.0 1.8 1.8 5.8
58 0 5 1 26.226 52.451 1.74308 588.5 24.3 23.6 5.8
59 1 3 2 26.316 52.632 1.73752 215.5 8.9 8.6 5.8
60 1 5 1 26.566 53.132 1.72234 31.5 1.3 1.3 5.8
61 3 2 2 26.647 53.294 1.7175 144.9 6.0 5.8 5.8
62 3 5 0 26.753 53.505 1.7112 266.7 11.0 10.7 5.8
63 4 0 -2 26.84 53.681 1.70602 179.5 7.4 7.2 5.8
64 5 3 1 26.968 53.935 1.69857 30.5 1.3 1.2 5.8
65 4 0 2 27.083 54.166 1.69187 102.5 4.2 4.1 5.8
66 4 4 -1 27.163 54.325 1.68729 346.0 14.3 13.8 5.8
67 4 1 -2 27.298 54.597 1.67955 742.4 30.7 29.7 5.8
68 2 5 -1 27.48 54.96 1.6693 45.4 1.9 1.8 5.8
69 4 1 2 27.538 55.077 1.66603 388.6 16.1 15.5 5.8
70 6 2 -1 28.014 56.028 1.64 317.4 13.1 12.7 5.8
71 6 2 1 28.191 56.382 1.63053 150.6 6.2 6.0 5.8
72 7 1 0 28.513 57.026 1.61364 68.6 2.8 2.7 5.8
73 3 3 -2 28.724 57.448 1.60279 113.7 4.7 4.5 5.8
74 3 3 2 28.898 57.796 1.59394 115.2 4.8 4.6 5.8
75 3 5 -1 29.018 58.035 1.58794 97.2 4.0 3.9 5.8
76 0 4 2 29.128 58.256 1.58246 37.8 1.6 1.5 5.8
77 1 4 -2 29.403 58.805 1.56898 121.3 5.0 4.8 5.8
78 1 4 2 29.46 58.92 1.5662 62.4 2.6 2.5 5.8
79 7 2 0 29.821 59.643 1.54894 136.1 5.6 5.4 5.8
80 7 0 -1 30.212 60.424 1.53076 66.3 2.7 2.6 5.8
81 6 3 1 30.367 60.734 1.5237 52.3 2.2 2.1 5.8
82 7 0 1 30.409 60.818 1.52178 72.7 3.0 2.9 5.8
83 7 1 -1 30.637 61.274 1.51155 136.7 5.7 5.4 5.8
84 4 3 -2 30.798 61.597 1.5044 60.6 2.5 2.4 5.8
85 7 1 1 30.833 61.665 1.5029 62.4 2.6 2.5 5.8
86 4 3 2 31.021 62.042 1.49466 46.4 1.9 1.8 5.8
87 0 6 1 31.083 62.166 1.49198 36.2 1.5 1.4 5.8
88 1 6 -1 31.361 62.722 1.48008 78.0 3.2 3.1 5.8
89 3 6 0 31.557 63.114 1.47184 150.4 6.2 5.9 5.9
90 3 4 -2 31.712 63.425 1.46537 40.3 1.7 1.6 5.9
91 3 4 2 31.877 63.754 1.4586 98.8 4.1 3.9 5.9
92 7 3 0 31.929 63.857 1.45648 109.7 4.5 4.3 5.9
93 7 2 1 32.083 64.167 1.45021 114.6 4.7 4.5 5.9
94 2 6 1 32.269 64.538 1.44275 37.0 1.5 1.5 5.9
95 8 0 0 32.53 65.06 1.43245 148.9 6.2 5.9 5.9
96 0 5 2 32.913 65.826 1.41762 61.8 2.6 2.4 5.9
97 6 4 -1 33.107 66.215 1.41023 52.5 2.2 2.1 5.9
98 1 5 -2 33.169 66.338 1.4079 46.9 1.9 1.8 5.9
99 1 5 2 33.223 66.445 1.40589 124.0 5.1 4.9 5.9
100 6 4 1 33.268 66.536 1.40419 37.2 1.5 1.5 5.9
101 1 0 3 33.525 67.051 1.39466 69.5 2.9 2.7 5.9
102 4 6 0 33.555 67.11 1.39358 166.6 6.9 6.5 5.9
103 0 1 3 33.607 67.215 1.39166 108.8 4.5 4.3 5.9
104 3 6 1 33.7 67.4 1.38828 107.0 4.4 4.2 5.9
105 1 1 -3 33.848 67.695 1.38294 87.6 3.6 3.4 5.9
106 7 3 -1 33.927 67.854 1.38009 47.6 2.0 1.9 5.9
107 8 2 0 34.147 68.294 1.37227 72.6 3.0 2.8 5.9
108 7 4 0 34.759 69.518 1.35107 49.3 2.0 1.9 5.9
109 1 2 3 35.12 70.239 1.33895 39.5 1.6 1.5 5.9
110 3 5 2 35.498 70.997 1.32651 40.9 1.7 1.6 5.9
111 4 6 -1 35.546 71.092 1.32496 44.5 1.8 1.7 5.9
112 3 0 -3 35.585 71.17 1.32372 30.3 1.3 1.2 5.9
113 4 6 1 35.65 71.3 1.32162 51.8 2.1 2.0 5.9
114 2 2 -3 35.825 71.649 1.31603 56.4 2.3 2.2 5.9
115 2 2 3 35.98 71.959 1.31112 73.8 3.1 2.9 5.9
116 3 1 3 36.208 72.416 1.30397 57.6 2.4 2.2 5.9
117 0 7 1 36.317 72.634 1.30059 24.5 1.0 1.0 6.0
118 1 7 1 36.601 73.202 1.2919 56.8 2.4 2.2 6.0
119 6 3 2 36.679 73.359 1.28953 41.4 1.7 1.6 6.0
120 0 3 3 36.762 73.523 1.28705 202.1 8.4 7.8 6.0
121 1 3 -3 36.993 73.986 1.28014 24.4 1.0 0.9 6.0
122 3 2 -3 37.14 74.28 1.2758 65.7 2.7 2.5 6.0
123 4 5 -2 37.217 74.433 1.27355 28.5 1.2 1.1 6.0
124 3 2 3 37.369 74.738 1.26911 32.5 1.3 1.3 6.0
125 1 6 -2 37.5 75.001 1.26531 29.0 1.2 1.1 6.0
126 7 2 -2 37.914 75.828 1.25355 81.5 3.4 3.1 6.0
127 8 3 -1 38.002 76.004 1.25108 25.0 1.0 1.0 6.0
128 8 3 1 38.204 76.409 1.24547 25.6 1.1 1.0 6.0
129 7 2 2 38.268 76.536 1.24371 52.6 2.2 2.0 6.0
130 3 7 -1 38.692 77.383 1.23219 78.8 3.3 3.0 6.0
131 9 2 0 38.756 77.512 1.23047 33.4 1.4 1.3 6.0
132 4 2 -3 38.969 77.938 1.22481 25.9 1.1 1.0 6.0
133 3 3 -3 39.051 78.103 1.22263 25.2 1.0 1.0 6.0
134 4 2 3 39.27 78.54 1.21692 36.1 1.5 1.4 6.0
135 7 3 -2 39.814 79.628 1.20301 112.6 4.7 4.3 6.0
136 0 8 0 40.084 80.168 1.19625 35.1 1.5 1.3 6.0
137 7 3 2 40.163 80.325 1.19431 59.9 2.5 2.3 6.0
138 8 4 -1 40.653 81.306 1.18236 48.3 2.0 1.8 6.1
139 4 3 -3 40.855 81.71 1.17753 57.1 2.4 2.2 6.1
140 4 3 3 41.152 82.305 1.17053 37.1 1.5 1.4 6.1
141 0 7 2 42.172 84.344 1.14734 75.3 3.1 2.8 6.1
142 1 8 -1 42.26 84.52 1.14541 37.1 1.5 1.4 6.1
143 7 4 -2 42.437 84.874 1.14153 75.8 3.1 2.9 6.1
144 10 1 0 42.608 85.215 1.13783 48.2 2.0 1.8 6.1
145 7 4 2 42.782 85.564 1.13409 137.6 5.7 5.2 6.1
146 2 8 -1 43.027 86.053 1.12888 55.9 2.3 2.1 6.1
147 2 7 2 43.26 86.521 1.12398 31.9 1.3 1.2 6.1
148 4 4 -3 43.467 86.934 1.1197 30.1 1.2 1.1 6.1
149 4 4 3 43.762 87.524 1.11367 43.0 1.8 1.6 6.2
150 6 7 0 43.859 87.719 1.11169 86.9 3.6 3.3 6.2
151 2 5 3 43.923 87.845 1.11042 26.1 1.1 1.0 6.2
152 8 5 -1 44.01 88.021 1.10865 68.0 2.8 2.5 6.2
153 8 5 1 44.207 88.414 1.10474 51.6 2.1 1.9 6.2
154 4 8 0 44.25 88.5 1.10388 102.6 4.2 3.8 6.2
155 7 6 1 44.395 88.789 1.10104 169.5 7.0 6.3 6.2
Reference:
Chichagov A.V. et al.
Information-Calculating System on Crystal Structure Data of Minerals
(MINCRYST)
- Kristallographiya, v.35, n.3, 1990, p.610-616 (in Russian)
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